SCHEMBL6615

SCHEMBL6615

Cc1noc(-c2ccc(-c3ccc(CCC(=O)O)cc3)cc2)c1CC(O)OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
FFAR4 Q5NUL3 8/20 0.50
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
MME P08473 1/20 0.40
ANO1 Q5XXA6 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6806 0.92 LPAR1 (0.42) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL6869 0.91 SYK (0.41) FFAR1FFAR4THRATHRBANO1
SCHEMBL6660 0.86 SYK (0.41) THRBANO1
SCHEMBL7136 0.85 FFAR1 (0.43) FFAR1FFAR4THRATHRBPPARG
SCHEMBL7483 0.85 ANO1 (0.37) FFAR1FFAR4ANO1
SCHEMBL2012 0.85 LPAR1 (0.43) ANO1
SCHEMBL6614 0.82 FFAR1 (0.50) FFAR1FFAR4THRATHRBPPARG
SCHEMBL2232 0.81 LMNA (0.39) THRBANO1
SCHEMBL18597716 0.80 FFAR1 (0.48) FFAR1FFAR4THRATHRBPPARG
SCHEMBL6424 0.80 MEN1 (0.37) THRBANO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed